N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine

C7H11N3OS2 — CID 130693454

IUPACN-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SC2COC2)s1
InChIInChI=1S/C7H11N3OS2/c1-2-8-6-9-10-7(13-6)12-5-3-11-4-5/h5H,2-4H2,1H3,(H,8,9)
InChIKeyTYQUTNAOBOUKFL-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.46
Rot. Bonds4

About N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 130693454) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID130693454
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC NameN-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SC2COC2)s1
InChIInChI=1S/C7H11N3OS2/c1-2-8-6-9-10-7(13-6)12-5-3-11-4-5/h5H,2-4H2,1H3,(H,8,9)
InChIKeyTYQUTNAOBOUKFL-UHFFFAOYSA-N
XLogP1.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
CID 80613563
2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole
CID 130621818
5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80613661
5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614368
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
CID 9379522
5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 119042413
3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine
CID 102761558
(2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
CID 9379597
N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9379585
N-ethyl-5-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 47119742
N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 133427688
N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 9379614

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 130693454) is N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(SC2COC2)s1.
What is the InChIKey of N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is TYQUTNAOBOUKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-2-8-6-9-10-7(13-6)12-5-3-11-4-5/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 217.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130693454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).